1-(2-bromophenyl)-N'-methyl-N'-(pyridin-3-ylmethyl)propane-1,3-diamine

C16H20BrN3 — CID 62628732

IUPAC1-(2-bromophenyl)-N'-methyl-N'-(pyridin-3-ylmethyl)propane-1,3-diamine
SMILESCN(CCC(N)c1ccccc1Br)Cc1cccnc1
InChIInChI=1S/C16H20BrN3/c1-20(12-13-5-4-9-19-11-13)10-8-16(18)14-6-2-3-7-15(14)17/h2-7,9,11,16H,8,10,12,18H2,1H3
InChIKeyRFVBOIROVMACBN-UHFFFAOYSA-N
MW334.26 g/mol
LogP3.37
Rot. Bonds6

About 1-(2-bromophenyl)-N'-methyl-N'-(pyridin-3-ylmethyl)propane-1,3-diamine

1-(2-bromophenyl)-N'-methyl-N'-(pyridin-3-ylmethyl)propane-1,3-diamine (PubChem CID 62628732) has the molecular formula C16H20BrN3 and a molecular weight of 334.26 g/mol. Its IUPAC name is 1-(2-bromophenyl)-N'-methyl-N'-(pyridin-3-ylmethyl)propane-1,3-diamine.

Molecular Properties

Compound Name1-(2-bromophenyl)-N'-methyl-N'-(pyridin-3-ylmethyl)propane-1,3-diamine
PubChem CID62628732
Molecular FormulaC16H20BrN3
Molecular Weight334.26 g/mol
Exact Mass333.08
IUPAC Name1-(2-bromophenyl)-N'-methyl-N'-(pyridin-3-ylmethyl)propane-1,3-diamine
SMILESCN(CCC(N)c1ccccc1Br)Cc1cccnc1
InChIInChI=1S/C16H20BrN3/c1-20(12-13-5-4-9-19-11-13)10-8-16(18)14-6-2-3-7-15(14)17/h2-7,9,11,16H,8,10,12,18H2,1H3
InChIKeyRFVBOIROVMACBN-UHFFFAOYSA-N
XLogP3.37
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.26
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-bromophenyl)-N-methyl-N-(pyridin-3-ylmethyl)ethane-1,2-diamine
CID 43563265
1-(2-bromophenyl)-N'-methyl-N'-(2-methylpropyl)propane-1,3-diamine
CID 55098747
1-(2-bromophenyl)-3-[methyl(pyridin-3-ylmethyl)amino]propan-1-one
CID 62629518
N,5-dimethyl-N-(pyridin-3-ylmethyl)hexan-1-amine
CID 59176505
N'-methyl-N'-(pyridin-3-ylmethyl)butane-1,4-diamine
CID 43563175
3-bromo-N-methyl-N-(pyridin-3-ylmethyl)propan-1-amine
CID 61286516
2-ethoxy-N'-methyl-N'-(pyridin-3-ylmethyl)butane-1,4-diamine
CID 63071613
3-N-methyl-3-N-(pyridin-3-ylmethyl)propane-1,2,3-triamine
CID 115119904
1-(2-bromophenyl)-2-pyridin-3-yloxyethanamine
CID 117243775
2-(1-aminoethyl)-N-methyl-N-(pyridin-3-ylmethyl)aniline
CID 43563493
2-[[3-amino-3-(2-bromophenyl)propyl]-methylamino]propan-1-ol
CID 104554558
1-(2-bromophenyl)-N'-methyl-N'-(4-methylpentan-2-yl)propane-1,3-diamine
CID 62624168

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-N'-methyl-N'-(pyridin-3-ylmethyl)propane-1,3-diamine?
The IUPAC name of 1-(2-bromophenyl)-N'-methyl-N'-(pyridin-3-ylmethyl)propane-1,3-diamine (CID 62628732) is 1-(2-bromophenyl)-N'-methyl-N'-(pyridin-3-ylmethyl)propane-1,3-diamine.
What is the SMILES notation for 1-(2-bromophenyl)-N'-methyl-N'-(pyridin-3-ylmethyl)propane-1,3-diamine?
The canonical SMILES for 1-(2-bromophenyl)-N'-methyl-N'-(pyridin-3-ylmethyl)propane-1,3-diamine is CN(CCC(N)c1ccccc1Br)Cc1cccnc1.
What is the InChIKey of 1-(2-bromophenyl)-N'-methyl-N'-(pyridin-3-ylmethyl)propane-1,3-diamine?
The InChIKey is RFVBOIROVMACBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrN3/c1-20(12-13-5-4-9-19-11-13)10-8-16(18)14-6-2-3-7-15(14)17/h2-7,9,11,16H,8,10,12,18H2,1H3.
What are the key properties of 1-(2-bromophenyl)-N'-methyl-N'-(pyridin-3-ylmethyl)propane-1,3-diamine?
1-(2-bromophenyl)-N'-methyl-N'-(pyridin-3-ylmethyl)propane-1,3-diamine has a molecular weight of 334.26 g/mol, XLogP of 3.37, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)-N'-methyl-N'-(pyridin-3-ylmethyl)propane-1,3-diamine is sourced from PubChem (CID 62628732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).